N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide

C16H17F2N5O4 — CID 144993143

IUPACN-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccn(CCC(F)Cn2cc(C(C)=O)nn2)c(=O)c1F
InChIInChI=1S/C16H17F2N5O4/c1-9(24)13-8-23(21-20-13)7-11(17)3-5-22-6-4-12(14(18)16(22)27)19-15(26)10(2)25/h4,6,8,11H,3,5,7H2,1-2H3,(H,19,26)
InChIKeyJYPGBAKLDBWBBK-UHFFFAOYSA-N
MW381.34 g/mol
LogP0.74
Rot. Bonds8

About N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide

N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide (PubChem CID 144993143) has the molecular formula C16H17F2N5O4 and a molecular weight of 381.34 g/mol. Its IUPAC name is N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide
PubChem CID144993143
Molecular FormulaC16H17F2N5O4
Molecular Weight381.34 g/mol
Exact Mass381.12
IUPAC NameN-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccn(CCC(F)Cn2cc(C(C)=O)nn2)c(=O)c1F
InChIInChI=1S/C16H17F2N5O4/c1-9(24)13-8-23(21-20-13)7-11(17)3-5-22-6-4-12(14(18)16(22)27)19-15(26)10(2)25/h4,6,8,11H,3,5,7H2,1-2H3,(H,19,26)
InChIKeyJYPGBAKLDBWBBK-UHFFFAOYSA-N
XLogP0.74
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide?
The IUPAC name of N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide (CID 144993143) is N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide.
What is the SMILES notation for N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide?
The canonical SMILES for N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide is CC(=O)C(=O)Nc1ccn(CCC(F)Cn2cc(C(C)=O)nn2)c(=O)c1F.
What is the InChIKey of N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide?
The InChIKey is JYPGBAKLDBWBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O4/c1-9(24)13-8-23(21-20-13)7-11(17)3-5-22-6-4-12(14(18)16(22)27)19-15(26)10(2)25/h4,6,8,11H,3,5,7H2,1-2H3,(H,19,26).
What are the key properties of N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide?
N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide has a molecular weight of 381.34 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-acetyltriazol-1-yl)-3-fluorobutyl]-3-fluoro-2-oxo-4-pyridinyl]-2-oxopropanamide is sourced from PubChem (CID 144993143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).